1-[3,5-bis(bromanyl)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-[3,5-bis(bromanyl)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)propan-1-one Openeye Name: 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one CAS Name: 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-propanone IUPAC Name: 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one Traditional Name: 3-(3-bromo-4-hydroxy-phenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]propan-1-one Formula: C21H21Br3O10 MolecularWeight: 673.09744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C(=C2OC3C(C(C(C(O3)CO)O)O)O)Br)O)Br)O)Br)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Br)O)Br)O)Br)O

InChI

InChI=1S/C21H21Br3O10/c22-8-5-7(1-3-9(8)26)2-4-10(27)12-16(29)13(23)17(30)14(24)20(12)34-21-19(32)18(31)15(28)11(6-25)33-21/h1,3,5,11,15,18-19,21,25-26,28-32H,2,4,6H2/t11-,15-,18+,19-,21+/m1/s1